2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C45H82N8O3 — CID 19768354

IUPAC2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(N2CCOCC2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C45H82N8O3/c1-11-13-25-50(35-31-42(3,4)52(43(5,6)32-35)55-37-21-17-15-18-22-37)40-46-39(49-27-29-54-30-28-49)47-41(48-40)51(26-14-12-2)36-33-44(7,8)53(45(9,10)34-36)56-38-23-19-16-20-24-38/h35-38H,11-34H2,1-10H3
InChIKeyXVENADPYYCNSJB-UHFFFAOYSA-N
MW783.20 g/mol
LogP9.49
Rot. Bonds15

About 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 19768354) has the molecular formula C45H82N8O3 and a molecular weight of 783.20 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID19768354
Molecular FormulaC45H82N8O3
Molecular Weight783.20 g/mol
Exact Mass782.65
IUPAC Name2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(N2CCOCC2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C45H82N8O3/c1-11-13-25-50(35-31-42(3,4)52(43(5,6)32-35)55-37-21-17-15-18-22-37)40-46-39(49-27-29-54-30-28-49)47-41(48-40)51(26-14-12-2)36-33-44(7,8)53(45(9,10)34-36)56-38-23-19-16-20-24-38/h35-38H,11-34H2,1-10H3
InChIKeyXVENADPYYCNSJB-UHFFFAOYSA-N
XLogP9.49
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500783.20
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 19768354) is 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CCCCN(c1nc(N2CCOCC2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.
What is the InChIKey of 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is XVENADPYYCNSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H82N8O3/c1-11-13-25-50(35-31-42(3,4)52(43(5,6)32-35)55-37-21-17-15-18-22-37)40-46-39(49-27-29-54-30-28-49)47-41(48-40)51(26-14-12-2)36-33-44(7,8)53(45(9,10)34-36)56-38-23-19-16-20-24-38/h35-38H,11-34H2,1-10H3.
What are the key properties of 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 783.20 g/mol, XLogP of 9.49, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19768354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).